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        "molfile": "\n  Marvin  01132100592D          \n\n 29 23  0  0  0  0            999 V2000\n    8.4247   -4.1492    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7018   -3.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9976   -4.1865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2141   -3.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2141   -2.9225    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9182   -2.5075    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.3884   -2.9225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2141   -2.1017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9976   -5.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3540   -5.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3540   -6.4299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0675   -6.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7717   -6.4344    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7717   -7.2646    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.1869   -5.7209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4853   -6.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6402   -6.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9267   -6.4205    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9267   -7.2459    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.2131   -6.0054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2039   -6.8309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1570   -4.5410    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.4247   -4.9700    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.8165   -3.4262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9083   -5.5553    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   10.9083   -5.5553    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   10.9083   -5.5553    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   10.9083   -5.5553    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   10.9083   -5.5553    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  6  5  1  0  0  0  0\n  7  5  2  0  0  0  0\n  8  5  1  0  0  0  0\n  9  3  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15 13  2  0  0  0  0\n 16 13  1  0  0  0  0\n 17 11  1  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 18  2  0  0  0  0\n 21 18  1  0  0  0  0\n 22  1  1  0  0  0  0\n 23  1  1  0  0  0  0\n 24  1  2  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\nM  CHG  8   6  -1  14  -1  19  -1  22  -1  23  -1  25   1  26   1  27   1\nM  CHG  2  28   1  29   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  5  25  26  27  28  29\nM  SPA   1  1  25\nM  SDI   1  4   10.4883   -5.9753   10.4883   -5.1353\nM  SDI   1  4   11.3283   -5.1353   11.3283   -5.9753\nM  SMT   1 5\nM  END",
        "smiles": "C(CN(CP(=O)(O)[O-])CP(=O)([O-])[O-])N(CP(=O)(O)[O-])CP(=O)(O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]",
        "formula": "C6H15N2O12P4.5Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "546.0337",
        "optical_activity": "NONE",
        "references": [
          "0ca6caa2-79fb-4dec-9fd4-8100de2e182a",
          "f3225123-2369-4d23-9714-e8174d41c8a9"
        ],
        "stereo_centers": 0
      },
      "unii": "2ZYX2V82AD"
    }
  ]
}